N-[(4-fluorophenyl)methyl]-N-[2-(4-octanoylpiperazin-1-yl)ethyl]hexanamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-N-[2-(4-octanoylpiperazin-1-yl)ethyl]hexanamide Openeye Name: N-[(4-fluorophenyl)methyl]-N-[2-(4-octanoylpiperazin-1-yl)ethyl]hexanamide CAS Name: N-[(4-fluorophenyl)methyl]-N-[2-[4-(1-oxooctyl)-1-piperazinyl]ethyl]hexanamide IUPAC Name: N-[(4-fluorophenyl)methyl]-N-[2-(4-octanoylpiperazin-1-yl)ethyl]hexanamide Traditional Name: N-[2-(4-caprylylpiperazino)ethyl]-N-(4-fluorobenzyl)hexanamide Formula: C27H44FN3O2 MolecularWeight: 461.655563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)CCN(CC2=CC=C(C=C2)F)C(=O)CCCCC

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)CCN(CC2=CC=C(C=C2)F)C(=O)CCCCC

InChI

InChI=1S/C27H44FN3O2/c1-3-5-7-8-10-12-26(32)30-20-17-29(18-21-30)19-22-31(27(33)11-9-6-4-2)23-24-13-15-25(28)16-14-24/h13-16H,3-12,17-23H2,1-2H3